BDBM50035709 CHEMBL3359895

SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N

InChI Key InChIKey=PVRJSOWSQUNARV-UHFFFAOYSA-N

Data  4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50035709   

TargetSerine/threonine-protein kinase Chk1(Human)
Genentech

Curated by ChEMBL

LigandBDBM50035709(CHEMBL3359895)Copy SMILESCopy InChI

Affinity DataIC50:  98nMAssay Description:Inhibition of ChK1 in human HT-29 cells assessed as phospho-histone H3 by Isobologram assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetSerine/threonine-protein kinase Chk1(Human)
Genentech

Curated by ChEMBL

LigandBDBM50035709(CHEMBL3359895)Copy SMILESCopy InChI

Affinity DataIC50:  1.30nMAssay Description:Inhibition of recombinant ChK1 (unknown origin) using AKT substrate by AlphaScreen assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetSerine/threonine-protein kinase Chk1(Human)
Genentech

Curated by ChEMBL

LigandBDBM50035709(CHEMBL3359895)Copy SMILESCopy InChI

Affinity DataEC50:  98nMAssay Description:Inhibition of CHK1 in human HT29 cells assessed as phosphorylation of histone H3 after 24 hrs by checkpoint abrogation cellular assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetAcetylcholinesterase(Human)
Argenta Discovery

Curated by ChEMBL

LigandBDBM50035709(CHEMBL3359895)Copy SMILESCopy InChI

Affinity DataIC50:  18nMAssay Description:Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetSerine/threonine-protein kinase Chk1(Human)
Genentech

Curated by ChEMBL

LigandBDBM50035709(CHEMBL3359895)Copy SMILESCopy InChI

Affinity DataIC50:  1.30nMAssay Description:Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL